%chk=000111181.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111181

0 1
 S    1.331000       2.030000     -0.2544000    
 O   0.4497000       2.232300       1.105600    
 O    2.438100       2.969900     -0.1912000    
 O   0.4230000       2.021000      -1.388400    
 N    5.321200      -1.127600      0.4124000    
 C    1.995200      0.4130000     -0.1282000    
 C    1.207800     -0.7229000     -0.2365000    
 C    3.366700      0.2782000      8.7899998E-02
 C    1.759900      -1.991500     -0.1335000    
 C    3.934800     -0.9915000      0.1931000    
 C  -0.2450000     -0.6281000     -0.4641000    
 C    3.131400      -2.126400      8.2300000E-02
 C   -1.182100     -0.5264000      0.5080000    
 C   -2.614700     -0.4135000      0.2833000    
 C   -3.163200     -0.8129000     -0.9355000    
 C   -3.440100      9.4599999E-02   1.286500    
 C   -4.537100     -0.7043000      -1.150900    
 C   -4.814100      0.2029000       1.071000    
 C   -5.362600     -0.1966000     -0.1476000    
 H    4.012000       1.147600      0.1802000    
 H    1.146700      -2.885100     -0.2181000    
 H  -0.5107000     -0.6329000      -1.517500    
 H    3.562200      -3.121200      0.1626000    
 H  -0.8567000     -0.5062000       1.546300    
 H   -2.564700      -1.233700      -1.737900    
 H   -3.030400      0.4125000       2.242200    
 H    5.733700      -2.047900      0.4874000    
 H    5.904900     -0.3055000      0.4915000    
 H   -4.965500      -1.019600      -2.097800    
 H   -5.456900      0.5983000       1.852000    
 H   -6.432500     -0.1132000     -0.3150000    
 H   0.9545000       2.170400       1.950400    


%chk=000111181-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111181

0 1
S 1.819967 1.987258 -1.199316
O 1.170870 2.876645 0.299253
O 3.210721 2.673297 -1.663847
O 0.605367 1.903270 -2.271362
N 5.359680 -1.306693 0.667923
C 2.196818 0.356181 -0.318326
C 1.157765 -0.508753 0.120762
C 3.571367 0.141803 -0.159395
C 1.646143 -1.691650 0.765787
C 4.006766 -1.044520 0.490513
C -0.269753 -0.237122 -0.071927
C 3.007418 -1.956298 0.950686
C -1.301743 -0.945028 0.490153
C -2.736069 -0.696117 0.281916
C -3.238276 0.291707 -0.618077
C -3.679896 -1.479931 1.008351
C -4.624174 0.485438 -0.773630
C -5.067839 -1.285463 0.852121
C -5.548441 -0.299403 -0.040155
H 4.283997 0.883754 -0.536366
H 0.918258 -2.429048 1.117585
H -0.511237 0.604706 -0.729000
H 3.315199 -2.883534 1.448528
H -1.076315 -1.773241 1.177754
H -2.544524 0.903748 -1.204749
H -3.313206 -2.246251 1.703310
H 5.669061 -2.154915 1.133662
H 6.066401 -0.656016 0.336749
H -4.989590 1.247441 -1.471330
H -5.772960 -1.899934 1.423054
H -6.625768 -0.144995 -0.166020
H 0.790493 3.747365 -0.018508


